CID 3086624

Tenosiprol

Structural Information

Molecular Formula

C₁₀H₁₁NO₄S

SMILES

C1[C@H](CN[C@@H]1C(=O)O)OC(=O)C2=CC=CS2

InChI

InChI=1S/C10H11NO4S/c12-9(13)7-4-6(5-11-7)15-10(14)8-2-1-3-16-8/h1-3,6-7,11H,4-5H2,(H,12,13)/t6-,7+/m1/s1

InChIKey

UALJSXIPZBZMGU-RQJHMYQMSA-N

Compound name

(2S,4R)-4-(thiophene-2-carbonyloxy)pyrrolidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 241.04088 Da
Monoisotopic Mass: -1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	242.048156	154.3
[M+Na]+	264.030098	160.5
[M-H]-	240.033604	157.4
[M+NH4]+	259.074703	172.7
[M+K]+	280.004038	158.2
[M+H-H2O]+	224.038140	148.7
[M+HCOO]-	286.039081	168.6
[M+CH3COO]-	300.054731	181.1
[M+Na-2H]-	262.015546	151.0
[M]+	241.04033142	153.5
[M]-	241.04142858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.